N4-(4-methylpiperazin-1-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1-piperazinyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: (4-methylpiperazino)-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C17H23N7O2 MolecularWeight: 357.41022

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CC=C3

InChI

InChI=1S/C17H23N7O2/c1-22-9-11-23(12-10-22)21-17-15(24(25)26)16(19-13-20-17)18-8-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H2,18,19,20,21)